2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid

C21H36N2O4 — CID 11682380

IUPAC2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NC2CCC(C(=O)N(C)C)CC2)CCCC1)C(=O)O
InChIInChI=1S/C21H36N2O4/c1-4-7-16(19(25)26)14-21(12-5-6-13-21)20(27)22-17-10-8-15(9-11-17)18(24)23(2)3/h15-17H,4-14H2,1-3H3,(H,22,27)(H,25,26)
InChIKeyBFHMTMVYWRPPAG-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.20
Rot. Bonds8

About 2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11682380) has the molecular formula C21H36N2O4 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11682380
Molecular FormulaC21H36N2O4
Molecular Weight380.53 g/mol
Exact Mass380.27
IUPAC Name2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)NC2CCC(C(=O)N(C)C)CC2)CCCC1)C(=O)O
InChIInChI=1S/C21H36N2O4/c1-4-7-16(19(25)26)14-21(12-5-6-13-21)20(27)22-17-10-8-15(9-11-17)18(24)23(2)3/h15-17H,4-14H2,1-3H3,(H,22,27)(H,25,26)
InChIKeyBFHMTMVYWRPPAG-UHFFFAOYSA-N
XLogP3.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11682380) is 2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)NC2CCC(C(=O)N(C)C)CC2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is BFHMTMVYWRPPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O4/c1-4-7-16(19(25)26)14-21(12-5-6-13-21)20(27)22-17-10-8-15(9-11-17)18(24)23(2)3/h15-17H,4-14H2,1-3H3,(H,22,27)(H,25,26).
What are the key properties of 2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 380.53 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[4-(dimethylcarbamoyl)cyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11682380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).